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    Dalpiciclib

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    2D Structure
    Also known as: 1637781-04-4, Shr-6390, 5zha5p4pfx, Cdk4/6 inhibitor shr6390, Shr6390, Pyrido(2,3-d)pyrimidin-7(8h)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(4-piperidinyl)-2-pyridinyl)amino)-
    Molecular Formula
    C25H30N6O2
    Molecular Weight
    446.5  g/mol
    InChI Key
    SGJLSPUSUBJWHO-UHFFFAOYSA-N
    FDA UNII
    5ZHA5P4PFX
    cyclin-dependent kinase 4 and 6 inhibitor
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
    2.1.2 InChI
    InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)
    2.1.3 InChI Key
    SGJLSPUSUBJWHO-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    5ZHA5P4PFX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1637781-04-4

    2. Shr-6390

    3. 5zha5p4pfx

    4. Cdk4/6 Inhibitor Shr6390

    5. Shr6390

    6. Pyrido(2,3-d)pyrimidin-7(8h)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(4-piperidinyl)-2-pyridinyl)amino)-

    7. Refchem:130831

    8. Unii-5zha5p4pfx

    9. 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperidin-4-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8h)-one

    10. 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one

    11. 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-piperidinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8h)-one

    12. Dalpiciclib?

    13. Dalpiciclib [inn]

    14. Dalpiciclib [who-dd]

    15. Orb1297963

    16. Chembl4802161

    17. Schembl16248248

    18. Schembl29385978

    19. Schembl29543117

    20. Gtpl11189

    21. Ex-a5817

    22. Akos040759914

    23. Example 1 [wo2014183520a1]

    24. Da-52298

    25. Ts-10024

    26. Hy-114338

    27. Cs-0083148

    28. G92472

    2.4 Create Date
    2014-12-01
    3 Chemical and Physical Properties
    Molecular Weight 446.5 g/mol
    Molecular Formula C25H30N6O2
    XLogP32.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area100
    Heavy Atom Count33
    Formal Charge0
    Complexity773
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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